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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 508916생성일: 2026년 10월 27일

Tetrabutylammonium Fluoride → 5-(2-Chloro-6-fluorophenyl)-2-(4-{[2-chloro-4-(trifluoromethyl)phenyl]ethynyl}phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

https://huagongshe.com/reaction/508916

반응식

참여 물질

역할이름HCID투입량
반응물Tetrabutylammonium FluorideHCID 2724141—
반응물3-Chloro-4-iodobenzotrifluorideHCID 2736612—
반응물5-(2-chloro-6-fluorophenyl)-2-(4-ethynylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-oneHCID 136644858—
촉매HCID 178418476HCID 178418476—
용매Dimethyl SulfoxideHCID 679—
생성물5-(2-Chloro-6-fluorophenyl)-2-(4-{[2-chloro-4-(trifluoromethyl)phenyl]ethynyl}phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-oneHCID 13649246925.5%

반응 단계

The title compound was prepared according to the procedure described in Example-3 using 5-(2-chloro-6-fluorophenyl)-2-(4-ethynylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (Intermediate-2, 0.100 g, 0.319 mmol), 2-chloro-1-iodo-4-(trifluoromethyl)benzene (0.147 g, 0.479 mmol), TBAF (0.201 g, 0.638 mmol), bis(triphenylphosphine)palladium(II) chloride (0.020 g, 0.028 mmol) and DMSO (3.0 mL). The obtained product was purified with column chromatography on silica gel eluting with 1.0% MeOH:DCM to afford 0.040 g of the desired product. 1H NMR (300 MHz, DMSO d6): δ 7.51 (d, J=8.7 Hz, 1H), 7.59 (d, J=7.8 Hz, 1H), 7.67-7.87 (m, 3H), 7.84 (t, J=8.4 Hz, 2H), 8.05 (d, J=8.4 Hz, 2H), 8.11 (s, 1H), 12.75 (br s, 1H). MS (m/z): 492.22 (M+).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US09096545B2
출처 데이터셋uspto-grants-2015_08
ORD IDord-abd6f239cb054cb1803174583e929bee
출처 메모uspto-grants-2015_08